ChemSpider 2D Image | 4-Amino-1-[(2xi)-beta-D-threo-pentofuranosyl]-1H-pyrrolo[2,3-d]pyridazin-7-ol | C11H14N4O5

4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrrolo[2,3-d]pyridazin-7-ol

  • Molecular FormulaC11H14N4O5
  • Average mass282.253 Da
  • Monoisotopic mass282.096405 Da
  • ChemSpider ID98612208

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrolo[2,3-d]pyridazin-7-ol, 4-amino-1-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrrolo[2,3-d]pyridazin-7-ol [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-pyrrolo[2,3-d]pyridazin-7-ol [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-β-D-thréo-pentofuranosyl]-1H-pyrrolo[2,3-d]pyridazin-7-ol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.874
Molar Refractivity: 62.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 104.4±7.0 dyne/cm
Molar Volume: 136.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement